Table 6. Residue-Wise ΔGbind Contribution of Ligands with h-telo 12-mer Quadruplexa.
| residues | ALI-C3 | BBZ-ARO | BBZ-AROCH2 | BMSG-SH-3 |
|---|---|---|---|---|
| T1 | –4.48 | |||
| A2 | –4.63 | |||
| G3 | –2.21 | |||
| G5 | –9.25 | –8.56 | –6.91 | |
| T6 | –3.06 | –1.90 | ||
| G11 | –5.35 | –6.73 | –6.79 | |
| T12 | –14.47 | –10.70 | –10.00 | |
| T13 | –2.81 | |||
| A14 | –10.38 | |||
| G15 | –12.28 | |||
| G16 | –5.37 | |||
| G17 | –3.18 | –11.68 | –3.37 | |
| T18 | –4.72 | –12.02 | –1.32 | |
| T19 | –6.58 | –6.85 | ||
| A20 | –7.68 | –2.40 | ||
| G21 | –8.62 | |||
| G22 | –4.72 | |||
| G23 | –3.96 | –2.44 | ||
| T24 | –11.16 | –10.63 | –3.48 |
All energies are in kcal mol–1.